SCHEMBL11381763

SCHEMBL11381763

CN(C)CCOCn1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
PDE4A P27815 1/20 0.54
PDE4B Q07343 1/20 0.54
PDE4C Q08493 1/20 0.54
PDE4D Q08499 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
RXFP1 Q9HBX9 3/20 0.53

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11380544 0.85 ADORA2B (0.59) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11383851 0.85 PDE1A (0.57) ADORA2BLMNAPDE4APDE4BPDE4C
Dimethazan SCHEMBL49056 0.84 PDE4A (0.73) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL11377411 0.83 ADORA2B (0.59) ADORA2BLMNAMAPTRXFP1
SCHEMBL11374923 0.82 ADORA2B (0.62) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL683583 0.81 ADORA2B (0.72) ADORA2BLMNAMAPTPDE4APDE4B
SCHEMBL19036787 0.81 ADORA2B (0.69) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL11388656 0.81 ADORA2B (0.55) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL23974589 0.79 ADORA2B (0.66) ADORA2BLMNAMAPTSMN1; SMN2RXFP1
SCHEMBL13659055 0.79 SMN1; SMN2 (0.66) ADORA2BLMNAMAPTSMN1; SMN2RXFP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4275064-A Transient pro-drug forms of xanthine derivatives and their use as topical anti-inflammatory agents INTERX RESEARCH CORPORATION (US) 1981-06-23 US disclosed
US-4061753-A Treating psoriasis with transient pro-drug forms of xanthine derivatives INTERX RESEARCH CORPORATION (US) 1977-12-06 US disclosed